[2-[3-[2-(6-methoxy-1-methyl-naphthalen-2-yl)ethanoylamino]propanoyloxy]-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-[3-[2-(6-methoxy-1-methyl-naphthalen-2-yl)ethanoylamino]propanoyloxy]-1-oxidanyl-4-oxidanylidene-henicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[2-hydroxy-1-[3-[[2-(6-methoxy-1-methyl-2-naphthyl)acetyl]amino]propanoyloxy]ethyl]-2-oxo-nonadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hydroxy-2-[3-[[2-(6-methoxy-1-methyl-2-naphthalenyl)-1-oxoethyl]amino]-1-oxopropoxy]-4-oxoheneicosan-3-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hydroxy-2-[3-[[2-(6-methoxy-1-methylnaphthalen-2-yl)acetyl]amino]propanoyloxy]-4-oxohenicosan-3-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[2-hydroxy-1-[3-[[2-(6-methoxy-1-methyl-2-naphthyl)acetyl]amino]propanoyloxy]ethyl]-2-keto-nonadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C43H71N2O10P MolecularWeight: 807.005001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCNC(=O)CC1=C(C2=C(C=C1)C=C(C=C2)OC)C)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(CO)OC(=O)CCNC(=O)CC1=C(C2=C(C=C1)C=C(C=C2)OC)C)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C43H71N2O10P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39(47)43(55-56(50,51)53-30-29-45(3,4)5)40(33-46)54-42(49)27-28-44-41(48)32-35-23-24-36-31-37(52-6)25-26-38(36)34(35)2/h23-26,31,40,43,46H,7-22,27-30,32-33H2,1-6H3,(H-,44,48,50,51)